Atomistry » Zinc » PDB 2wwo-2x8y » 2x0v
Atomistry »
  Zinc »
    PDB 2wwo-2x8y »
      2x0v »

Zinc in PDB 2x0v: Structure of the P53 Core Domain Mutant Y220C Bound to 4- (Trifluoromethyl)Benzene-1,2-Diamine

Protein crystallography data

The structure of Structure of the P53 Core Domain Mutant Y220C Bound to 4- (Trifluoromethyl)Benzene-1,2-Diamine, PDB code: 2x0v was solved by N.Basse, J.L.Kaar, A.C.Joerger, A.R.Fersht, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.03 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.226, 71.088, 105.389, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 18.9

Other elements in 2x0v:

The structure of Structure of the P53 Core Domain Mutant Y220C Bound to 4- (Trifluoromethyl)Benzene-1,2-Diamine also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of the P53 Core Domain Mutant Y220C Bound to 4- (Trifluoromethyl)Benzene-1,2-Diamine (pdb code 2x0v). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of the P53 Core Domain Mutant Y220C Bound to 4- (Trifluoromethyl)Benzene-1,2-Diamine, PDB code: 2x0v:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2x0v

Go back to Zinc Binding Sites List in 2x0v
Zinc binding site 1 out of 2 in the Structure of the P53 Core Domain Mutant Y220C Bound to 4- (Trifluoromethyl)Benzene-1,2-Diamine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the P53 Core Domain Mutant Y220C Bound to 4- (Trifluoromethyl)Benzene-1,2-Diamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1300

b:10.0
occ:1.00
ND1 A:HIS179 2.0 7.5 1.0
SG A:CYS242 2.3 11.8 1.0
SG A:CYS238 2.3 15.0 1.0
SG A:CYS176 2.4 10.1 1.0
CE1 A:HIS179 3.0 9.0 1.0
CG A:HIS179 3.1 9.0 1.0
CB A:CYS242 3.1 12.0 1.0
CB A:HIS179 3.4 8.9 1.0
CB A:CYS176 3.5 10.5 1.0
CB A:CYS238 3.5 16.5 1.0
CA A:CYS238 3.9 10.2 1.0
N A:CYS176 4.0 6.2 1.0
O A:HOH2171 4.1 27.1 1.0
NE2 A:HIS179 4.1 10.7 1.0
CD2 A:HIS179 4.2 12.7 1.0
N A:HIS179 4.3 10.8 1.0
CA A:CYS176 4.3 8.5 1.0
N A:TYR239 4.3 7.2 1.0
CA A:HIS179 4.5 10.0 1.0
CA A:CYS242 4.5 13.1 1.0
C A:CYS238 4.7 9.4 1.0
O A:HOH2156 4.7 13.7 1.0
O A:MET237 4.7 7.4 1.0

Zinc binding site 2 out of 2 in 2x0v

Go back to Zinc Binding Sites List in 2x0v
Zinc binding site 2 out of 2 in the Structure of the P53 Core Domain Mutant Y220C Bound to 4- (Trifluoromethyl)Benzene-1,2-Diamine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the P53 Core Domain Mutant Y220C Bound to 4- (Trifluoromethyl)Benzene-1,2-Diamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1300

b:10.6
occ:1.00
ND1 B:HIS179 2.1 10.8 1.0
SG B:CYS242 2.3 10.9 1.0
SG B:CYS176 2.4 9.3 1.0
SG B:CYS238 2.4 8.6 1.0
CE1 B:HIS179 3.0 11.0 1.0
CB B:CYS242 3.1 10.4 1.0
CG B:HIS179 3.1 10.3 1.0
CB B:CYS238 3.4 13.0 1.0
CB B:CYS176 3.4 8.9 1.0
CB B:HIS179 3.5 9.2 1.0
CA B:CYS238 3.9 8.3 1.0
O B:HOH2159 3.9 29.6 1.0
N B:CYS176 4.0 7.4 1.0
NE2 B:HIS179 4.1 12.0 1.0
CD2 B:HIS179 4.2 14.1 1.0
CA B:CYS176 4.3 9.8 1.0
N B:HIS179 4.4 12.2 1.0
N B:TYR239 4.5 6.4 1.0
CA B:CYS242 4.5 14.9 1.0
CA B:HIS179 4.6 9.8 1.0
O B:MET237 4.6 8.9 1.0
O B:HOH2144 4.7 10.8 1.0
C B:CYS238 4.7 7.7 1.0
C B:CYS176 5.0 11.7 1.0

Reference:

N.Basse, J.L.Kaar, G.Settanni, A.C.Joerger, T.J.Rutherford, A.R.Fersht. Toward the Rational Design of P53-Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant. Chem.Biol. V. 17 46 2010.
ISSN: ISSN 1074-5521
PubMed: 20142040
DOI: 10.1016/J.CHEMBIOL.2009.12.011
Page generated: Thu Oct 17 05:06:51 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy